but-3-enylazanium

C4H10N+ — CID 6992082

IUPACbut-3-enylazanium
SMILESC=CCC[NH3+]
InChIInChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2/p+1
InChIKeyASVKKRLMJCWVQF-UHFFFAOYSA-O
MW72.13 g/mol
LogP-0.20
Rot. Bonds2

About but-3-enylazanium

but-3-enylazanium (PubChem CID 6992082) has the molecular formula C4H10N+ and a molecular weight of 72.13 g/mol. Its IUPAC name is but-3-enylazanium.

Molecular Properties

Compound Namebut-3-enylazanium
PubChem CID6992082
Molecular FormulaC4H10N+
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC Namebut-3-enylazanium
SMILESC=CCC[NH3+]
InChIInChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2/p+1
InChIKeyASVKKRLMJCWVQF-UHFFFAOYSA-O
XLogP-0.20
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

but-3-enylazanium iodide
CID 130297634
heptacosa-1,26-diene
CID 58905535
(5E)-deca-1,5,9-triene
CID 5362636
heptadeca-1,16-diene
CID 6429392
(111C)pent-1-ene
CID 177423582
CID 19809750
CID 19809750
5-prop-2-enylnona-1,8-diene
CID 54537373
but-3-en-1-ol;silane
CID 174710612
CID 175109121
CID 175109121
dodeca-1,6,11-triene
CID 548864
formic acid;hexa-1,5-diene
CID 174904293
copper(1+);pent-1-ene
CID 11029887

Frequently Asked Questions

What is the IUPAC name of but-3-enylazanium?
The IUPAC name of but-3-enylazanium (CID 6992082) is but-3-enylazanium.
What is the SMILES notation for but-3-enylazanium?
The canonical SMILES for but-3-enylazanium is C=CCC[NH3+].
What is the InChIKey of but-3-enylazanium?
The InChIKey is ASVKKRLMJCWVQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2/p+1.
What are the key properties of but-3-enylazanium?
but-3-enylazanium has a molecular weight of 72.13 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylazanium is sourced from PubChem (CID 6992082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).